G786-0458 Screening compound: {imidazo[1,2-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

G786-0458 Screening compound: {imidazo[1,2-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate
G786-0458 Screening compound: {imidazo[1,2-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0458
{imidazo[1,2-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G786-0458

Molecular Formula

C18H18FN5S2 (C18 H18 FN5 S2)

Compound Name

{imidazo[1,2-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

IUPAC name

{imidazo[12-a]pyrimidin-2-yl}methyl 4-(4-fluorophenyl)piperazine-1-carbodithioate

SMILES

Fc(cc1)ccc1N(CC1)CCN1C(SCc1cn(cccn2)c2n1)=S

InChI

InChI=1S/C18H18FN5S2/c19-14-2-4-16(5-3-14)22-8-10-23(11-9-22)18(25)26-13-15-12-24-7-1-6-20-17(24)21-15/h1-7,12H,8-11,13H2

InChI Key

FAROVKZBZXLBFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03847461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-2.89

Polar Surface Area

26.957

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G786-0458 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0458?
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What is the minimum amount of G786-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0458
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G786-0458 available by request